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Chemical Theory and Modelling Group
PSL University - Chimie ParisTech
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Latest Publications
Does the gradient-regulated connection improve the description of correlated metal bond properties?
International Journal of Quantum Chemistry DOI: 10.1002/qua.25831 Gradient‐regulated connection (GRAC) is a generalized gradient...
Emissive Azobenzenes Delivered on a Silver Coordination Polymer
Inorganic Chemistry 2018 DOI: 10.1021/acs.inorgchem.8b02845 Azobenzene has become a ubiquitous component of functional molecules and...
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